CID 6447718

N-(1,1-dimethyl ethyl)-3-(2-(2-1h-indol-4-yl)ethenyl)phenoxy-1-propanamine succinate

Structural Information

Molecular Formula
C23H28N2O
SMILES
CC(C)(C)NCCCOC1=CC=CC=C1/C=C/C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C23H28N2O/c1-23(2,3)25-15-7-17-26-22-11-5-4-8-19(22)13-12-18-9-6-10-21-20(18)14-16-24-21/h4-6,8-14,16,24-25H,7,15,17H2,1-3H3/b13-12+
InChIKey
OFPAFOVEGCSKND-OUKQBFOZSA-N
Compound name
N-[3-[2-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]propyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.22015 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 188.7
[M+Na]+ 371.20937 194.9
[M-H]- 347.21287 193.3
[M+NH4]+ 366.25397 202.6
[M+K]+ 387.18331 187.6
[M+H-H2O]+ 331.21741 180.1
[M+HCOO]- 393.21835 209.0
[M+CH3COO]- 407.23400 213.7
[M+Na-2H]- 369.19482 192.7
[M]+ 348.21960 190.6
[M]- 348.22070 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe